15,18,18-trimethyl-N'-(4-methylbenzoyl)-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carbohydrazide

C26H26N4O4 — CID 5261577

IUPAC15,18,18-trimethyl-N'-(4-methylbenzoyl)-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)C23CCC(C)(c4nc5cc6c(cc5nc42)OCO6)C3(C)C)cc1
InChIInChI=1S/C26H26N4O4/c1-14-5-7-15(8-6-14)22(31)29-30-23(32)26-10-9-25(4,24(26,2)3)20-21(26)28-17-12-19-18(33-13-34-19)11-16(17)27-20/h5-8,11-12H,9-10,13H2,1-4H3,(H,29,31)(H,30,32)
InChIKeyAGOLNYALBIJGJY-UHFFFAOYSA-N
MW458.52 g/mol
LogP3.46
Rot. Bonds2

About 15,18,18-trimethyl-N'-(4-methylbenzoyl)-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carbohydrazide

15,18,18-trimethyl-N'-(4-methylbenzoyl)-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carbohydrazide (PubChem CID 5261577) has the molecular formula C26H26N4O4 and a molecular weight of 458.52 g/mol. Its IUPAC name is 15,18,18-trimethyl-N'-(4-methylbenzoyl)-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carbohydrazide.

Molecular Properties

Compound Name15,18,18-trimethyl-N'-(4-methylbenzoyl)-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carbohydrazide
PubChem CID5261577
Molecular FormulaC26H26N4O4
Molecular Weight458.52 g/mol
Exact Mass458.20
IUPAC Name15,18,18-trimethyl-N'-(4-methylbenzoyl)-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)C23CCC(C)(c4nc5cc6c(cc5nc42)OCO6)C3(C)C)cc1
InChIInChI=1S/C26H26N4O4/c1-14-5-7-15(8-6-14)22(31)29-30-23(32)26-10-9-25(4,24(26,2)3)20-21(26)28-17-12-19-18(33-13-34-19)11-16(17)27-20/h5-8,11-12H,9-10,13H2,1-4H3,(H,29,31)(H,30,32)
InChIKeyAGOLNYALBIJGJY-UHFFFAOYSA-N
XLogP3.46
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 15,18,18-trimethyl-N'-(4-methylbenzoyl)-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carbohydrazide with MolForge

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Related Compounds

N'-(2,4-dichlorobenzoyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carbohydrazide
CID 5261613
12,15,15-trimethyl-6-nitro-N'-(4-nitrobenzoyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carbohydrazide
CID 5184746
N-(3-chloro-2-methylphenyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide
CID 3271487
6,7-dichloro-12,15,15-trimethyl-N'-(4-nitrobenzoyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide
CID 3250482
N-(3,4-dichlorophenyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide
CID 5261236
N-(2,6-dichlorophenyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide
CID 5261536
N'-[2-(2,4-dichlorophenoxy)acetyl]-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carbohydrazide
CID 5261645
15,18,18-trimethyl-N-(1,3-thiazol-2-yl)-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide
CID 5261471
(1S,12S)-N-(1,3-benzodioxol-5-ylmethyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
CID 1299087
N-(5-chloro-2-methoxyphenyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide
CID 3271491
12,15,15-trimethyl-N'-(2-phenylacetyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide
CID 4728814
6,7,12,15,15-pentamethyl-N'-phenyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carbohydrazide
CID 3260256

Frequently Asked Questions

What is the IUPAC name of 15,18,18-trimethyl-N'-(4-methylbenzoyl)-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carbohydrazide?
The IUPAC name of 15,18,18-trimethyl-N'-(4-methylbenzoyl)-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carbohydrazide (CID 5261577) is 15,18,18-trimethyl-N'-(4-methylbenzoyl)-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carbohydrazide.
What is the SMILES notation for 15,18,18-trimethyl-N'-(4-methylbenzoyl)-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carbohydrazide?
The canonical SMILES for 15,18,18-trimethyl-N'-(4-methylbenzoyl)-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carbohydrazide is Cc1ccc(C(=O)NNC(=O)C23CCC(C)(c4nc5cc6c(cc5nc42)OCO6)C3(C)C)cc1.
What is the InChIKey of 15,18,18-trimethyl-N'-(4-methylbenzoyl)-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carbohydrazide?
The InChIKey is AGOLNYALBIJGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4/c1-14-5-7-15(8-6-14)22(31)29-30-23(32)26-10-9-25(4,24(26,2)3)20-21(26)28-17-12-19-18(33-13-34-19)11-16(17)27-20/h5-8,11-12H,9-10,13H2,1-4H3,(H,29,31)(H,30,32).
What are the key properties of 15,18,18-trimethyl-N'-(4-methylbenzoyl)-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carbohydrazide?
15,18,18-trimethyl-N'-(4-methylbenzoyl)-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carbohydrazide has a molecular weight of 458.52 g/mol, XLogP of 3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 15,18,18-trimethyl-N'-(4-methylbenzoyl)-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carbohydrazide is sourced from PubChem (CID 5261577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).